methyl 3-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C20H20N2O4S/c1-25-19(24)17-13(10-11-26-17)12-27-20-21-16-9-5-4-8-15(16)18(23)22(20)14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3